SCHEMBL1440205

SCHEMBL1440205

Cc1cc2[nH]c(=O)[nH]c2cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.76
GRIN3B O60391 4/20 0.76
GRIN1 Q05586 4/20 0.76
GRIN2A Q12879 4/20 0.76
GRIN2B Q13224 4/20 0.76
GRIN2C Q14957 4/20 0.76
GRIN3A Q8TCU5 4/20 0.76
PDE3B Q13370 5/20 0.54
PDE3A Q14432 5/20 0.54
GRIA1 P42261 7/20 0.53
CACNG8 Q8WXS5 5/20 0.53
LMNA P02545 2/20 0.50
GRIA2 P42262 2/20 0.50
GRIA3 P42263 2/20 0.50
GRIA4 P48058 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5769722 0.86 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL762964 0.83 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL640124 0.83 GRIA1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27474539 0.82 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19068666 0.77 ALDH1A1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1115539 0.73 GRIA1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1827312 0.73 ALDH1A1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1829719 0.73 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1439986 0.73 ALDH1A1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19644507 0.73 GRIA1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194308-A1 NOVEL PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS NOVASAID AB (SE) 2016-07-07 US disclosed
US-20160194308-A1 NOVEL PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS NOVASAID AB (SE) 2016-07-07 US disclosed
US-20160122330-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGE-1 INHIBITORS NOVASAID AB (SE) 2016-05-05 US disclosed
US-20160122330-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGE-1 INHIBITORS NOVASAID AB (SE) 2016-05-05 US disclosed
EP-3010913-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGE-1 INHIBITORS Novasaid AB (SE) 2016-04-27 EP disclosed
WO-2014204371-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGE-1 INHIBITORS CADILA PHARMACEUTICALS LTD. (IN) 2014-12-24 WO disclosed
WO-2014204370-A1 NOVEL PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS CADILA PHARMACEUTICALS LTD. (IN) 2014-12-24 WO disclosed
WO-2014204371-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGE-1 INHIBITORS CADILA PHARMACEUTICALS LTD. (IN) 2014-12-24 WO disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
EP-1397434-B1 BASIC MONOAZO COMPOUNDS CLARIANT FINANCE BVI LTD (VG) 2012-12-26 EP disclosed
EP-2495244-A1 Piperidinyl benzoimidazole derivatives as mPGEs-1 inhibitors NovaSaid AB (SE) 2012-09-05 EP disclosed
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 WO disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
US-7183409-B2 Basic mono- and bisazo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2007-02-27 US disclosed
US-7183409-B2 Basic mono- and bisazo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2007-02-27 US disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160194308-A1 NOVEL PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS FAP, APC, PTGES GRIN2D 2673/4885GRIN3B 3180/4885GRIN1 1596/4885
US-20160122330-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGE-1 INHIBITORS FAP, APC, PPM1D GRIN2D 3913/4885GRIN3B 3901/4885GRIN1 1778/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L GRIN2D 3253/4885GRIN3B 3432/4885GRIN1 3931/4885
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 GRIN2D 676/4885GRIN3B 324/4885GRIN1 344/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 GRIN2D 685/4885GRIN3B 316/4885GRIN1 364/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.